8007-2564 Screening compound: 2-{[(E)-1-(5-bromo-2,4-dihydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide

8007-2564 Screening compound: 2-{[(E)-1-(5-bromo-2,4-dihydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide
8007-2564 Screening compound: 2-{[(E)-1-(5-bromo-2,4-dihydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2564
2-{[(E)-1-(5-bromo-2,4-dihydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8007-2564

Molecular Formula

C16H13BrN2O2S (C16 H13 BrN2 O2 S)

Compound Name

2-{[(E)-1-(5-bromo-2,4-dihydroxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide

IUPAC name

2-[(E)-[(5-bromo-24-dihydroxyphenyl)methylidene]amino]-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

N#Cc1c(/N=C/c(c(O)c2)cc(Br)c2O)sc2c1CCCC2

InChI

InChI=1S/C16H13BrN2O2S/c17-12-5-9(13(20)6-14(12)21)8-19-16-11(7-18)10-3-1-2-4-15(10)22-16/h5-6,8,20-21H,1-4H2

InChI Key

HHFNSCYTYPBHFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00836102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.09

Polar Surface Area

58.233

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8007-2564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-2564?
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What is the minimum amount of 8007-2564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2564
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8007-2564 available by request